Avoiding interpenetration by the contraction of acylamide-inserted linker for the construction of A pcu-type Metal-Organic Polyhedral

Tan, Hao; Du, Liting; Zhao, Xiang; Qi, Xiaosong; Deng, Zhiwen; Lu, Zhiyong; Zhang, Jianfeng; He, Haiyan

doi:10.1016/j.jssc.2022.123519

Cited by 2 publications

(4 citation statements)

References 49 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In some instances, functional groups attached to the organic linker were not reflected in the crystalline structure. Finally, there are cases where dislocation moves occur in TAMFUM with an increase in pressure, and the KEPOBA undergoes deformation from ideal porosity due to high torsion stress in the linkers . Furthermore, the UFF force field fails to accurately replicate the structure of the MOF, and the limitation of Zeo++ in calculating frameworks in a rigid state leads to errors.…”

Section: Resultsmentioning

confidence: 99%

MatGD: Materials Graph Digitizer

Lee,

Kim

2023

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

We developed Material Graph Digitizer (MatGD), which is a tool for digitizing a data line from scientific graphs. The algorithm behind the tool consists of four steps: (1) identifying graphs within subfigures, (2) separating axes and data sections, (3) discerning the data lines by eliminating irrelevant graph objects and matching with the legend, and ( 4) data extraction and saving. From the 62,534 papers in the areas of batteries, catalysis, and metal− organic frameworks (MOFs), 501,045 figures were mined. Remarkably, our tool showcased performance with over 99% accuracy in legend marker and text detection. Moreover, its capability for data line separation stood at 66%, which is much higher compared to those of other existing figure-mining tools. We believe that this tool will be integral to collecting both past and future data from publications, and these data can be used to train various machine learning models that can enhance material predictions and new materials discovery.

show abstract

Section: Resultsmentioning

confidence: 99%

MatGD: Materials Graph Digitizer

Lee,

Kim

2023

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

show abstract

“…To probe the necessity of lattice mismatching and factors that determine the formation of MOF@MOFs in one-pot synthesis, we selected two sets of isoreticular MOFs showing similarity in their crystal lattices: the txt-type NJU-Bai20 [28] and NJU-Bai21, [28] and pcu-type PMOF-3 [29] and HHU-9. [30] NJU-Bai20 is constructed by a rigid 5-topic linker of PDED (5,5'-(pyridine-3,5-diylbis(ethyne-2,1-diyl))diisophthalic acid) and Cu(II), showing a self-interpenetrated network with txt topology (Figure 1a). NJU-Bai21 is an isoreticular structure of NJU-Bai20 constructed by Cu(II) ions and flexible 5-topic linker of H 4 PDAD (5,5'-((pyridine-3,5-dicarbonyl)bis(azanediyl))diisophthalic acid, an analog linker of H 4 PDED with C≡C bonds being replaced by acrylamide groups) (Figure 1b).…”

Section: Resultsmentioning

confidence: 99%

“…Therefore, HHU-9 is a noninterpenetrated counterpart of PMOF-3. [30] For MOFs with matched crystal lattice (Figure 1) and isoreticular networks, their linkers' similarity tends to form multivariant MOF in a random way by one-pot synthesis. [23,24] In the case of txt-type NJU-Bai20 and −21, when equal-molar Table 1.…”

Section: Resultsmentioning

confidence: 99%

“…However, for HHU‐9 constructed by an acrylamide‐inserted linker, it showed a visible extent of PTE (positive thermal expansion) according to our previous work. [ 30 ] When cooling down to r.t., the contraction caused by the temperature‐responsible configuration changes of acrylamide‐inserted linkers can introduce a number of cracks in every single crystal (Figure 2b). In addition, variable‐temperature PXRD of as‐synthesized HHU‐9 under vacuum also confirmed its structural fragility compared to PMOF‐3.…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

One‐Pot Synthesis of MOF@MOF: Structural Incompatibility Leads to Core–Shell Structure and Adaptability Control Makes the Sequence

Tan,

Zhao,

et al. 2023

Small

Self Cite

View full text Add to dashboard Cite

Core–shell metal–organic frameworks (MOF@MOF) are promising materials with sophisticated structures that cannot only enhance the properties of MOFs but also endow them with new functions. The growth of isotopic lcore–shell MOFs is mostly limited to inconvenient stepwise seeding strategies with strict requirements, and by far one‐pot synthesis is still of great challenge due to the interference of different components. Through two pairs of isoreticular MOFs, it reveals that the structural incompatibility is a prerequisite for the formation of MOFs@MOFs by one‐pot synthesis, as illustrated by PMOF‐3@HHU‐9. It further unveils that the adaptability of the shell‐MOF is a more key factor for nucleation kinetic control. MOFs with flexible linkers has comparably slower nucleation than MOFs with rigid linkers (forming PMOF‐3@NJU‐Bai21), and structural‐flexible MOFs built by flexible linkers show the lowest nucleation and the most adaptability (affording NJU‐Bai21@HHU‐9). This degree of adaptability variation controls the sequence and further facilitates the synthesis of a first triple‐layered core–shell MOF (PMOF‐3@NJU‐Bai21@HHU‐9) by one‐pot synthesis. The insight gained from this study will aid in the rational design and synthesis of other multi‐shelled structures by one‐pot synthesis and the further expansion of their applications.

show abstract

Avoiding interpenetration by the contraction of acylamide-inserted linker for the construction of A pcu-type Metal-Organic Polyhedral

Cited by 2 publications

References 49 publications

MatGD: Materials Graph Digitizer

MatGD: Materials Graph Digitizer

One‐Pot Synthesis of MOF@MOF: Structural Incompatibility Leads to Core–Shell Structure and Adaptability Control Makes the Sequence

Contact Info

Product

Resources

About